============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 2 1.040 1.595 60.909 -2.162 -99.200 -91.000 TRP6 2 1.020 2.168 60.528 -4.424 -99.200 -91.000 PHE 6 1.000 2.276 54.127 -4.370 -99.200 -91.000 TRP 10 1.040 5.594 55.365 1.881 -99.200 -91.000 TRP6 10 1.020 7.025 57.100 1.146 -99.200 -91.000 TYR 41 0.840 38.438 50.281 21.276 -99.200 -91.000 HIS 54 0.900 20.800 51.674 19.058 -99.200 -91.000 TRP 71 1.040 38.897 38.137 8.448 -99.200 -91.000 TRP6 71 1.020 40.292 39.760 7.442 -99.200 -91.000 TYR 86 0.840 26.562 55.823 25.040 -99.200 -91.000 HIS 103 0.900 37.077 54.233 -11.453 -99.200 -91.000 TYR 110 0.840 29.261 72.027 -10.034 -99.200 -91.000 HIS 120 0.900 12.442 66.884 -17.446 -99.200 -91.000 TRP 122 1.040 5.583 70.499 -11.850 -99.200 -91.000 TRP6 122 1.020 4.081 70.985 -10.089 -99.200 -91.000 TYR 123 0.840 13.018 70.158 -9.114 -99.200 -91.000 PHE 132 1.000 25.912 52.016 2.768 -99.200 -91.000 PHE 133 1.000 22.462 47.825 8.603 -99.200 -91.000 HIS 138 0.900 28.754 33.602 -0.930 -99.200 -91.000 PHE 145 1.000 32.662 43.450 6.068 -99.200 -91.000 PHE 147 1.000 29.703 43.525 16.137 -99.200 -91.000 TRP 149 1.040 26.516 42.221 22.450 -99.200 -91.000 TRP6 149 1.020 26.820 44.518 22.933 -99.200 -91.000 TRP 162 1.040 28.143 44.156 10.797 -99.200 -91.000 TRP6 162 1.020 26.385 45.429 11.735 -99.200 -91.000 PHE 169 1.000 33.518 46.843 2.378 -99.200 -91.000 PHE 176 1.000 21.822 51.325 -1.769 -99.200 -91.000 HIS 181 0.900 22.913 54.336 -11.177 -99.200 -91.000 PHE 187 1.000 11.015 54.726 -12.312 -99.200 -91.000 HIS 191 0.900 8.160 54.964 -15.427 -99.200 -91.000 TYR 199 0.840 26.095 61.508 -3.436 -99.200 -91.000 TYR 229 0.840 16.809 48.606 -3.351 -99.200 -91.000 TYR 245 0.840 19.129 64.833 -4.860 -99.200 -91.000 TYR 248 0.840 24.183 71.782 -4.591 -99.200 -91.000